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	hartrees
Energy at 0K	-316.392410
Energy at 298.15K
HF Energy	-315.358113
Nuclear repulsion energy	209.994063

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3069	3004
2	A₁	2287	2239
3	A₁	828	811
4	A₁	560	548
5	A₁	159	155
6	A₂	331	324
7	E	2287	2239
7	E	2287	2239
8	E	1286	1259
8	E	1286	1259
9	E	1028	1006
9	E	1028	1006
10	E	555	544
10	E	555	543
11	E	330	323
11	E	329	322
12	E	127	124
12	E	126	124

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.521
H2	0.000	0.000	1.630
C3	0.000	1.418	0.062
C4	1.228	-0.709	0.062
C5	-1.228	-0.709	0.062
N6	0.000	2.543	-0.280
N7	2.203	-1.272	-0.280
N8	-2.203	-1.272	-0.280

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.1086	1.4905	1.4905	1.4905	2.6666	2.6666	2.6666
H2	1.1086		2.1136	2.1136	2.1136	3.1806	3.1806	3.1806
C3	1.4905	2.1136		2.4564	2.4564	1.1762	3.4936	3.4936
C4	1.4905	2.1136	2.4564		2.4564	3.4936	1.1762	3.4936
C5	1.4905	2.1136	2.4564	2.4564		3.4936	3.4936	1.1762
N6	2.6666	3.1806	1.1762	3.4936	3.4936		4.4054	4.4054
N7	2.6666	3.1806	3.4936	1.1762	3.4936	4.4054		4.4054
N8	2.6666	3.1806	3.4936	3.4936	1.1762	4.4054	4.4054

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	179.006	C1	C4	N7	179.006
C1	C5	N8	179.006	H2	C1	C3	107.920
H2	C1	C4	107.920	H2	C1	C5	107.920
C3	C1	C4	110.977	C3	C1	C5	110.977
C4	C1	C5	110.977

All results from a given calculation for CH(CN)₃ (tricyanomethane)

using model chemistry: CCSD(T)/cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH(CN)3 (tricyanomethane)

using model chemistry: CCSD(T)/cc-pVDZ

States and conformations

All results from a given calculation for CH(CN)₃ (tricyanomethane)